(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine

HCID 58405561

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 877676-50-1
표준 SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C
InChIKey: RKXHCGYXHHPYHQ-MRVPVSSYSA-N
분자식: C12H17ClN4O
평균 분자량: 268.74 g/mol

이름 및 식별자

우선 이름: (R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
IUPAC: (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
영어명: (R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one
분자식: C12H17ClN4O
분자량: 268.74

이름 및 동의어

877676-50-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido(4,5-b)pyrazine(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazineRefChem:407213807-904-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-oneMFCD16621126(7R)-2-CHLORO-7-ETHYL-7,8-DIHYDRO-5-METHYL-8-(1-METHYLETHYL)-6(5H)-PTERIDINONE(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-oneTQ0268AKOS022172475(7R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7H-pteridin-6-one

이름 더 보기

2-Chloro-7-ethyl-8-isopropyl-5-Methyl-7,8-dihydro-5H-pteridin-6-one6(5H)-Pteridinone, 2-chloro-7-ethyl-7,8-dihydro-5-Methyl-8-(1-Methylethyl)-, (7R)-

(7R)-2-chloro-7-ethyl-5-methyl-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-6-oneSCHEMBL736973SCHEMBL30738763(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydro-5H-pteridin-6-oneDS-5905SY290750DB-299928CS-0053118

데이터베이스 식별자

CAS: 877676-50-1
PubChem CID: 58405561
EC Number: 807-904-1

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 325

물리화학적 성질

끓는 점: 492.1 · 492.1±40.0 °C(Predicted)
밀도: 1.205 · 1.205
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.48 · 1.48±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one is a compound that has been involved in the preparation of selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce α-synuclein phosphorylation in rat brain.